==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 18-JUN-04 1WL1 . COMPND 2 MOLECULE: OCTOPRENYL-DIPHOSPHATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR R.T.GUO,C.J.KUO,Y.S.CHENG,Y.L.CHENG,P.H.LIANG,A.H.-J.WANG . 560 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26867.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 461 82.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 19 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 344 61.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 3 1 0 0 2 2 1 3 0 2 2 0 1 0 2 1 1 0 1 3 2 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 9 A N > 0 0 107 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 58.8 -24.8 -26.0 61.4 2 10 A S H > + 0 0 100 1,-0.2 4,-1.1 2,-0.2 5,-0.1 0.701 360.0 72.3 -71.7 -18.6 -27.2 -24.9 64.1 3 11 A Y H >> S+ 0 0 169 2,-0.2 4,-1.2 1,-0.1 3,-1.0 0.995 106.6 30.5 -58.2 -68.4 -24.3 -23.6 66.1 4 12 A E H >> S+ 0 0 16 1,-0.3 4,-1.2 2,-0.2 3,-1.0 0.921 113.8 61.5 -55.1 -52.7 -23.6 -20.5 63.8 5 13 A L H 3X S+ 0 0 15 -4,-1.5 4,-1.5 1,-0.3 -1,-0.3 0.757 107.7 46.7 -48.0 -28.9 -27.2 -20.0 62.7 6 14 A E H X S+ 0 0 3 -4,-2.3 4,-3.2 2,-0.2 3,-1.0 0.958 109.3 45.5 -53.4 -60.6 -29.6 -9.7 64.3 13 21 A E H 3X S+ 0 0 104 -4,-1.5 4,-2.3 1,-0.3 -1,-0.2 0.868 114.3 51.8 -53.0 -37.2 -31.6 -9.2 67.5 14 22 A Q H 3X S+ 0 0 116 -4,-2.2 4,-0.7 1,-0.2 -1,-0.3 0.783 113.6 44.1 -70.2 -28.2 -28.5 -7.3 68.8 15 23 A I H X S+ 0 0 0 -4,-3.2 4,-3.0 1,-0.2 3,-0.9 0.890 105.6 61.3 -75.4 -37.7 -32.2 -4.5 65.6 17 25 A S H 3< S+ 0 0 55 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.856 101.3 52.9 -54.5 -40.3 -32.2 -3.6 69.2 18 26 A Q H 3< S+ 0 0 161 -4,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.764 119.6 33.4 -68.5 -27.4 -29.8 -0.8 68.5 19 27 A F H << S+ 0 0 38 -3,-0.9 -2,-0.2 -4,-0.7 -1,-0.2 0.736 112.8 56.7-101.4 -29.8 -32.1 0.7 65.9 20 28 A F S < S- 0 0 9 -4,-3.0 2,-0.1 -5,-0.1 394,-0.0 -0.684 87.3-102.8-104.3 159.0 -35.6 -0.0 67.0 21 29 A P > - 0 0 32 0, 0.0 4,-1.1 0, 0.0 3,-0.2 -0.436 30.8-120.4 -73.6 155.0 -37.4 0.9 70.3 22 30 A E H >> S+ 0 0 131 1,-0.2 3,-1.2 2,-0.2 4,-0.9 0.957 110.3 65.2 -60.9 -47.2 -37.7 -2.0 72.7 23 31 A Q H 34 S+ 0 0 95 1,-0.3 3,-0.4 2,-0.2 4,-0.2 0.846 109.4 36.3 -38.7 -51.8 -41.5 -1.6 72.6 24 32 A I H >> S+ 0 0 1 -3,-0.2 3,-1.3 1,-0.2 4,-0.7 0.662 97.5 86.1 -80.9 -17.4 -41.6 -2.6 69.0 25 33 A M H X< S+ 0 0 18 -3,-1.2 3,-0.9 -4,-1.1 -1,-0.2 0.857 85.3 52.8 -51.5 -44.8 -38.8 -5.2 69.3 26 34 A K T 3< S+ 0 0 158 -4,-0.9 -1,-0.3 -3,-0.4 4,-0.1 0.728 109.1 53.9 -65.2 -22.1 -41.1 -8.0 70.4 27 35 A D T <4 S+ 0 0 31 -3,-1.3 -1,-0.2 -4,-0.2 -2,-0.2 0.571 75.0 110.5 -92.6 -11.8 -43.3 -7.4 67.4 28 36 A L S << S- 0 0 6 -3,-0.9 2,-2.5 -4,-0.7 59,-0.1 -0.524 79.8-115.1 -68.9 123.5 -40.8 -7.6 64.5 29 37 A P - 0 0 22 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.292 51.5-172.1 -58.7 77.6 -41.4 -10.7 62.4 30 38 A L + 0 0 46 -2,-2.5 -21,-0.0 -4,-0.1 -4,-0.0 -0.447 37.4 0.9 -84.6 151.4 -38.1 -12.3 63.2 31 39 A Y + 0 0 65 -2,-0.2 -1,-0.1 -22,-0.0 2,-0.1 0.924 58.8 174.6 41.2 106.1 -36.3 -15.4 61.9 32 40 A G - 0 0 43 -3,-0.1 -2,-0.0 0, 0.0 51,-0.0 0.014 66.4 -49.0-105.2-142.8 -38.2 -17.3 59.2 33 41 A K - 0 0 127 -2,-0.1 5,-0.1 1,-0.1 -2,-0.0 0.899 64.3-157.5 -62.3 -40.8 -36.5 -20.3 57.5 34 42 A M >> + 0 0 6 3,-0.1 4,-2.4 29,-0.1 3,-0.9 0.795 29.3 160.0 66.9 31.6 -33.4 -18.3 56.9 35 43 A L H 3> + 0 0 53 1,-0.3 4,-4.1 2,-0.2 5,-0.4 0.897 69.4 58.1 -47.4 -51.8 -32.3 -20.5 54.0 36 44 A R H 3> S+ 0 0 54 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.856 108.3 46.1 -51.1 -40.0 -30.0 -17.8 52.6 37 45 A V H <> S+ 0 0 0 -3,-0.9 4,-3.2 2,-0.2 -1,-0.2 0.944 116.4 45.0 -69.4 -45.8 -28.1 -17.8 55.9 38 46 A R H X S+ 0 0 129 -4,-2.4 4,-3.1 1,-0.2 -2,-0.2 0.988 114.1 47.8 -57.5 -61.6 -28.0 -21.5 56.0 39 47 A L H X S+ 0 0 34 -4,-4.1 4,-1.5 1,-0.2 -1,-0.2 0.712 114.7 49.2 -51.1 -25.2 -27.0 -21.8 52.3 40 48 A S H X S+ 0 0 0 -4,-1.1 4,-2.5 -5,-0.4 -1,-0.2 0.897 107.6 50.7 -81.9 -47.2 -24.4 -19.1 53.1 41 49 A I H X S+ 0 0 2 -4,-3.2 4,-2.0 1,-0.2 -2,-0.2 0.956 109.9 54.5 -52.1 -48.9 -23.0 -20.8 56.1 42 50 A L H X S+ 0 0 32 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.920 105.4 50.8 -49.2 -54.9 -22.8 -23.9 53.9 43 51 A S H X S+ 0 0 2 -4,-1.5 4,-2.5 2,-0.2 5,-0.3 0.919 106.9 55.6 -51.2 -50.5 -20.7 -22.0 51.3 44 52 A F H >X>S+ 0 0 0 -4,-2.5 5,-1.7 2,-0.2 3,-1.1 0.961 109.4 44.4 -45.7 -68.2 -18.3 -20.8 54.0 45 53 A K H ><5S+ 0 0 92 -4,-2.0 3,-1.8 1,-0.3 -1,-0.2 0.904 113.1 53.4 -41.4 -55.5 -17.6 -24.4 55.1 46 54 A N H 3<5S+ 0 0 84 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.807 111.0 44.1 -52.4 -39.2 -17.2 -25.5 51.5 47 55 A R H <<5S- 0 0 98 -4,-2.5 -1,-0.3 -3,-1.1 -2,-0.2 0.454 114.1-119.6 -87.5 -1.5 -14.7 -22.8 50.7 48 56 A G T <<5 + 0 0 67 -3,-1.8 2,-0.4 -4,-0.9 -3,-0.2 0.869 62.1 148.7 66.8 38.4 -12.9 -23.6 53.9 49 57 A V < - 0 0 15 -5,-1.7 -1,-0.2 -6,-0.2 2,-0.1 -0.884 46.9-122.7-108.1 134.2 -13.4 -20.1 55.3 50 58 A E - 0 0 173 -2,-0.4 2,-1.1 1,-0.1 -6,-0.0 -0.464 15.0-133.3 -74.0 144.7 -13.7 -19.5 59.0 51 59 A I + 0 0 27 -2,-0.1 -1,-0.1 4,-0.1 5,-0.0 -0.719 41.5 164.0-100.2 83.0 -16.9 -17.7 60.2 52 60 A G > - 0 0 31 -2,-1.1 4,-1.0 3,-0.0 -1,-0.1 0.557 57.4 -74.9 -72.2-136.3 -15.4 -15.1 62.5 53 61 A E H > S+ 0 0 163 2,-0.2 4,-3.0 3,-0.1 5,-0.2 0.848 134.3 50.8 -93.8 -46.9 -17.3 -12.1 63.8 54 62 A D H > S+ 0 0 85 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.633 111.8 53.8 -63.8 -11.5 -17.1 -10.1 60.6 55 63 A A H > S+ 0 0 3 2,-0.2 4,-2.0 3,-0.1 -1,-0.2 0.907 107.9 44.7 -86.7 -51.4 -18.4 -13.3 59.1 56 64 A I H X S+ 0 0 15 -4,-1.0 4,-2.8 1,-0.2 -2,-0.2 0.913 112.4 55.8 -58.1 -42.4 -21.5 -13.6 61.4 57 65 A S H X S+ 0 0 7 -4,-3.0 4,-2.3 2,-0.2 5,-0.3 0.957 104.2 51.2 -54.1 -57.4 -22.1 -9.9 60.8 58 66 A S H >X S+ 0 0 0 -4,-1.2 4,-2.2 1,-0.2 3,-0.6 0.948 112.2 48.7 -42.3 -62.2 -22.2 -10.2 57.0 59 67 A L H 3X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.3 -1,-0.2 0.876 107.4 52.8 -45.7 -53.2 -24.7 -13.0 57.4 60 68 A A H 3X S+ 0 0 0 -4,-2.8 4,-1.5 1,-0.2 -1,-0.3 0.884 110.6 48.7 -54.7 -40.6 -26.9 -11.1 59.9 61 69 A A H X S+ 0 0 12 -4,-3.1 4,-1.7 1,-0.2 3,-1.5 0.956 105.4 52.8 -54.3 -56.3 -36.4 -8.7 56.4 68 76 A A H 3X S+ 0 0 6 -4,-3.3 4,-1.8 1,-0.3 5,-0.3 0.932 104.1 55.5 -44.8 -59.9 -36.8 -5.2 55.0 69 77 A S H 3X S+ 0 0 30 -4,-1.9 4,-1.0 1,-0.2 -1,-0.3 0.735 108.0 51.5 -50.5 -26.3 -38.2 -6.5 51.7 70 78 A L H XX S+ 0 0 42 -3,-1.5 4,-2.3 -4,-1.0 3,-1.1 0.975 102.9 53.1 -75.8 -58.5 -40.9 -8.3 53.7 71 79 A L H 3X S+ 0 0 5 -4,-1.7 4,-1.5 1,-0.3 -2,-0.2 0.846 113.2 48.6 -44.9 -36.6 -42.2 -5.5 55.8 72 80 A H H 3X S+ 0 0 14 -4,-1.8 4,-1.1 -5,-0.2 -1,-0.3 0.822 109.0 52.2 -75.2 -31.3 -42.6 -3.6 52.5 73 81 A D H XX S+ 0 0 35 -3,-1.1 4,-1.9 -4,-1.0 3,-0.6 0.988 108.8 50.1 -64.5 -58.7 -44.4 -6.5 50.9 74 82 A D H 3X>S+ 0 0 10 -4,-2.3 4,-3.2 1,-0.3 5,-1.4 0.823 104.7 54.3 -49.5 -45.1 -47.0 -6.9 53.6 75 83 A V H 3<5S+ 0 0 14 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.918 109.1 51.4 -59.0 -40.6 -48.0 -3.2 53.9 76 84 A I H <<5S+ 0 0 51 -4,-1.1 -2,-0.2 -3,-0.6 -1,-0.2 0.938 115.9 39.7 -58.0 -52.5 -48.8 -3.4 50.1 77 85 A D H <5S- 0 0 95 -4,-1.9 -2,-0.2 2,-0.0 -1,-0.2 0.822 105.2-129.9 -67.7 -35.9 -50.9 -6.5 50.5 78 86 A G T <5 + 0 0 52 -4,-3.2 2,-0.4 -5,-0.2 -3,-0.2 0.854 40.3 177.2 83.8 40.9 -52.5 -5.3 53.8 79 87 A A < - 0 0 29 -5,-1.4 -1,-0.2 1,-0.1 11,-0.1 -0.652 27.6-168.4 -85.9 130.8 -51.8 -8.5 55.7 80 88 A R S S+ 0 0 119 -2,-0.4 7,-1.5 1,-0.2 2,-0.4 0.649 76.5 50.6 -86.4 -20.1 -52.8 -8.9 59.4 81 89 A F B -A 86 0A 129 5,-0.3 2,-0.6 -7,-0.1 5,-0.2 -0.975 57.0-175.6-129.0 126.2 -50.8 -12.1 59.8 82 90 A R S S- 0 0 37 3,-2.6 3,-0.2 -2,-0.4 4,-0.0 -0.894 78.3 -36.6-120.9 99.8 -47.2 -12.9 58.9 83 91 A R S S- 0 0 168 -2,-0.6 -1,-0.1 1,-0.2 3,-0.1 0.930 131.7 -30.0 52.5 52.7 -46.3 -16.6 59.6 84 92 A G S S+ 0 0 83 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.540 122.3 88.2 88.9 8.5 -48.4 -16.8 62.7 85 93 A K S S- 0 0 49 -3,-0.2 -3,-2.6 -56,-0.0 2,-0.6 -0.924 81.8 -96.4-139.2 163.9 -48.2 -13.3 64.0 86 94 A E B -A 81 0A 74 -2,-0.3 -5,-0.3 -5,-0.2 -6,-0.1 -0.681 49.1-125.3 -79.2 117.4 -49.9 -9.9 63.8 87 95 A T >> - 0 0 3 -7,-1.5 4,-1.9 -2,-0.6 3,-1.4 -0.182 15.1-115.6 -62.2 154.7 -48.0 -7.9 61.2 88 96 A I H 3>>S+ 0 0 3 1,-0.3 4,-3.1 2,-0.2 5,-0.7 0.954 113.1 59.6 -54.2 -56.3 -46.6 -4.5 62.1 89 97 A N H 345S+ 0 0 15 1,-0.2 -1,-0.3 3,-0.2 5,-0.2 0.596 109.3 46.5 -54.0 -10.2 -48.8 -2.6 59.7 90 98 A F H <45S+ 0 0 94 -3,-1.4 -1,-0.2 3,-0.2 -2,-0.2 0.861 115.2 41.5 -95.5 -51.5 -51.8 -4.0 61.5 91 99 A M H <5S+ 0 0 67 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.911 138.6 12.1 -61.1 -45.0 -50.8 -3.3 65.1 92 100 A Y T <5S- 0 0 31 -4,-3.1 4,-0.3 1,-0.2 -3,-0.2 0.453 111.1-101.9-116.5 -4.5 -49.4 0.1 64.3 93 101 A G >< - 0 0 5 -5,-0.7 4,-1.9 1,-0.1 -1,-0.2 -0.125 37.6 -72.7 103.3 160.2 -50.5 1.1 60.8 94 102 A D H > S+ 0 0 77 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.913 125.5 54.0 -59.3 -46.5 -49.1 1.3 57.3 95 103 A K H > S+ 0 0 25 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.898 107.7 50.7 -58.7 -41.5 -46.9 4.3 58.0 96 104 A A H > S+ 0 0 0 -4,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.967 110.7 49.9 -59.2 -50.9 -45.2 2.7 60.9 97 105 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.831 110.2 46.8 -58.2 -41.5 -44.5 -0.5 58.9 98 106 A V H X S+ 0 0 4 -4,-2.1 4,-2.5 1,-0.2 5,-0.3 0.938 108.9 56.4 -67.6 -43.4 -42.9 1.2 55.9 99 107 A A H X S+ 0 0 0 -4,-2.0 4,-1.0 -5,-0.3 -2,-0.2 0.845 109.3 48.4 -52.9 -36.8 -40.8 3.3 58.2 100 108 A A H X S+ 0 0 1 -4,-1.6 4,-3.8 2,-0.2 3,-0.3 0.929 106.8 52.7 -70.9 -50.2 -39.5 0.0 59.7 101 109 A G H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.3 -2,-0.2 0.937 112.5 46.2 -51.1 -49.2 -38.7 -1.6 56.4 102 110 A D H X S+ 0 0 15 -4,-2.5 4,-1.1 1,-0.2 -1,-0.3 0.772 114.2 50.1 -65.4 -27.4 -36.7 1.4 55.4 103 111 A L H X S+ 0 0 1 -4,-1.0 4,-2.5 -5,-0.3 -2,-0.2 0.913 105.9 52.5 -78.2 -46.2 -35.1 1.4 58.8 104 112 A V H X S+ 0 0 0 -4,-3.8 4,-1.8 1,-0.3 3,-0.5 0.975 106.8 55.5 -50.8 -53.8 -34.1 -2.3 58.8 105 113 A L H X S+ 0 0 25 -4,-2.2 4,-2.2 1,-0.3 3,-0.3 0.860 106.0 50.7 -46.8 -42.1 -32.5 -1.6 55.5 106 114 A V H X S+ 0 0 3 -4,-1.1 4,-3.0 1,-0.2 -1,-0.3 0.918 106.0 55.7 -63.3 -40.9 -30.4 1.1 57.2 107 115 A S H X S+ 0 0 0 -4,-2.5 4,-1.7 -3,-0.5 -1,-0.2 0.816 107.3 51.1 -60.7 -29.3 -29.5 -1.4 59.9 108 116 A A H X S+ 0 0 1 -4,-1.8 4,-2.2 -3,-0.3 -2,-0.2 0.959 111.7 44.7 -72.3 -52.0 -28.2 -3.7 57.1 109 117 A F H X S+ 0 0 23 -4,-2.2 4,-3.4 2,-0.2 5,-0.3 0.958 113.0 51.4 -54.5 -55.6 -26.0 -1.0 55.5 110 118 A H H X S+ 0 0 61 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.932 108.9 51.9 -46.0 -55.6 -24.7 0.2 58.9 111 119 A T H X S+ 0 0 6 -4,-1.7 4,-0.7 -5,-0.2 -1,-0.2 0.903 114.6 40.9 -48.2 -53.5 -23.7 -3.3 59.8 112 120 A V H >X S+ 0 0 4 -4,-2.2 3,-1.8 1,-0.2 4,-1.3 0.955 111.5 55.9 -61.9 -53.6 -21.8 -3.9 56.6 113 121 A E H 3< S+ 0 0 23 -4,-3.4 3,-0.4 1,-0.3 -2,-0.2 0.893 101.8 60.0 -45.2 -45.9 -20.2 -0.4 56.6 114 122 A E H 3< S+ 0 0 133 -4,-2.8 -1,-0.3 -5,-0.3 -2,-0.2 0.769 99.4 55.8 -55.7 -32.0 -18.9 -1.3 60.1 115 123 A I H << S- 0 0 29 -3,-1.8 2,-0.3 -4,-0.7 -1,-0.2 0.912 96.8-148.2 -68.0 -42.9 -16.9 -4.2 58.8 116 124 A G < + 0 0 24 -4,-1.3 5,-0.5 -3,-0.4 -1,-0.3 -0.796 47.3 130.3 102.2-151.6 -15.0 -2.1 56.3 117 125 A N >> - 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0 0 29 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.441 42.4-153.5 -62.8 125.2 -48.5 -10.8 29.7 146 154 A I - 0 0 7 -2,-0.2 83,-0.2 73,-0.2 82,-0.1 -0.768 10.0-119.3-104.5 150.1 -44.7 -10.7 30.1 147 155 A T > - 0 0 36 -2,-0.3 4,-1.4 81,-0.1 -1,-0.1 0.093 26.8-105.2 -71.9-172.9 -42.2 -12.8 28.2 148 156 A K H > S+ 0 0 80 2,-0.2 4,-2.5 3,-0.1 5,-0.2 0.927 121.2 51.7 -80.5 -50.6 -39.7 -15.4 29.5 149 157 A E H > S+ 0 0 114 1,-0.2 4,-2.5 2,-0.2 3,-0.3 0.948 113.6 47.0 -46.9 -54.8 -36.7 -13.0 29.1 150 158 A E H > S+ 0 0 74 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.848 108.7 52.1 -56.8 -43.5 -38.7 -10.4 31.1 151 159 A Y H X S+ 0 0 1 -4,-1.4 4,-2.6 2,-0.2 -1,-0.2 0.859 112.5 48.4 -65.1 -33.1 -39.8 -12.8 33.8 152 160 A L H X S+ 0 0 57 -4,-2.5 4,-2.9 -3,-0.3 5,-0.2 0.961 105.8 53.3 -71.2 -52.3 -36.1 -13.8 34.3 153 161 A R H < S+ 0 0 172 -4,-2.5 5,-0.2 -5,-0.2 -1,-0.2 0.830 116.0 44.6 -51.0 -33.8 -34.7 -10.3 34.4 154 162 A I H >X S+ 0 0 2 -4,-1.5 4,-3.1 -5,-0.2 3,-2.3 0.980 115.0 43.1 -74.6 -62.9 -37.2 -9.7 37.1 155 163 A V H 3X>S+ 0 0 4 -4,-2.6 5,-1.3 1,-0.3 4,-1.0 0.709 107.7 63.1 -57.9 -21.3 -36.8 -12.9 39.2 156 164 A E H 3<5S+ 0 0 86 -4,-2.9 -1,-0.3 3,-0.2 5,-0.2 0.523 118.0 25.7 -82.0 -7.9 -33.0 -12.6 38.8 157 165 A G H <45S+ 0 0 5 -3,-2.3 5,-0.4 -5,-0.2 -2,-0.2 0.642 121.4 53.8-113.3 -52.9 -33.0 -9.3 40.8 158 166 A K H <5S- 0 0 33 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.688 136.3 -5.0 -56.8 -20.7 -36.1 -9.8 42.8 159 167 A S T <5S+ 0 0 11 -4,-1.0 4,-0.4 -5,-0.3 -3,-0.2 0.601 126.9 52.8-149.4 -25.2 -34.9 -13.1 44.1 160 168 A G S > S+ 0 0 0 1,-0.3 4,-2.0 -5,-0.2 5,-0.1 0.875 102.4 44.0 -52.0 -45.4 -29.5 -11.5 43.5 162 170 A L H > S+ 0 0 8 -5,-0.4 4,-1.0 2,-0.2 -1,-0.3 0.772 114.1 50.8 -74.8 -26.1 -29.7 -12.0 47.2 163 171 A F H > S+ 0 0 5 -4,-0.4 4,-2.1 -3,-0.3 3,-0.3 0.946 107.9 52.0 -74.7 -47.8 -29.1 -15.7 46.9 164 172 A G H X S+ 0 0 0 -4,-3.8 4,-1.7 1,-0.3 3,-0.4 0.938 110.7 47.6 -50.2 -51.9 -26.0 -15.2 44.7 165 173 A L H X S+ 0 0 0 -4,-2.0 4,-1.4 1,-0.3 -1,-0.3 0.823 105.7 61.5 -59.2 -31.2 -24.7 -12.8 47.3 166 174 A A H < S+ 0 0 0 -4,-1.0 3,-0.3 -3,-0.3 -1,-0.3 0.923 110.0 39.3 -61.4 -43.1 -25.5 -15.5 49.9 167 175 A L H < S+ 0 0 1 -4,-2.1 4,-0.3 -3,-0.4 -2,-0.2 0.725 112.1 59.4 -79.0 -20.5 -23.2 -17.8 48.2 168 176 A Q H X S+ 0 0 23 -4,-1.7 4,-1.7 -5,-0.2 3,-0.4 0.690 76.8 89.8 -83.8 -19.9 -20.5 -15.2 47.5 169 177 A L H X S+ 0 0 0 -4,-1.4 4,-3.4 -3,-0.3 5,-0.5 0.871 81.3 56.7 -44.1 -55.2 -19.8 -14.0 51.1 170 178 A P H > S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.930 112.8 43.0 -44.2 -52.5 -16.9 -16.5 51.8 171 179 A A H >>S+ 0 0 0 -3,-0.4 5,-2.1 -4,-0.3 4,-1.4 0.801 115.9 48.7 -65.2 -31.7 -15.1 -15.2 48.8 172 180 A L H <5S+ 0 0 10 -4,-1.7 -1,-0.2 -3,-0.4 -3,-0.2 0.877 111.1 46.7 -78.0 -39.8 -15.9 -11.5 49.6 173 181 A L H <5S+ 0 0 38 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.2 0.888 115.5 50.1 -66.6 -35.2 -14.9 -11.6 53.2 174 182 A E H <5S- 0 0 126 -4,-2.0 -2,-0.2 -5,-0.5 -1,-0.2 0.822 118.0-116.0 -70.4 -34.1 -11.7 -13.4 52.0 175 183 A G T <5S+ 0 0 46 -4,-1.4 -3,-0.2 1,-0.4 2,-0.2 0.401 73.6 118.4 113.2 -1.8 -11.1 -10.7 49.3 176 184 A E < - 0 0 111 -5,-2.1 -1,-0.4 -6,-0.2 -2,-0.1 -0.480 69.5-115.0 -93.8 166.3 -11.6 -12.8 46.2 177 185 A L - 0 0 106 -2,-0.2 5,-0.1 -3,-0.1 -1,-0.1 0.970 27.7-170.8 -64.5 -59.5 -14.1 -12.3 43.4 178 186 A G > + 0 0 4 -7,-0.1 4,-2.1 3,-0.1 5,-0.1 0.920 24.1 155.0 64.8 42.6 -16.2 -15.4 43.6 179 187 A E H > S+ 0 0 118 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.921 71.2 55.8 -66.6 -41.4 -18.1 -14.6 40.4 180 188 A D H > S+ 0 0 145 1,-0.2 4,-1.5 2,-0.2 3,-0.5 0.946 107.9 46.9 -54.7 -51.8 -18.7 -18.3 40.0 181 189 A L H >> S+ 0 0 22 1,-0.2 4,-2.6 2,-0.2 3,-0.7 0.947 108.0 57.3 -55.1 -50.7 -20.4 -18.6 43.4 182 190 A Y H 3X S+ 0 0 42 -4,-2.1 4,-1.6 1,-0.3 -1,-0.2 0.797 107.1 47.4 -50.6 -38.1 -22.5 -15.5 42.8 183 191 A N H 3X S+ 0 0 87 -4,-1.7 4,-2.1 -3,-0.5 -1,-0.3 0.775 107.5 54.9 -77.2 -29.1 -24.0 -17.0 39.7 184 192 A L H X S+ 0 0 91 -4,-2.0 4,-2.4 2,-0.2 3,-1.4 0.993 108.9 47.9 -64.5 -60.5 -41.0 -23.3 43.0 196 204 A D H 3X S+ 0 0 40 -4,-2.1 4,-3.2 1,-0.3 5,-0.3 0.860 107.7 58.4 -46.9 -40.7 -43.1 -20.7 44.9 197 205 A D H 3X S+ 0 0 4 -4,-2.9 4,-1.7 1,-0.2 -1,-0.3 0.861 109.5 42.6 -61.7 -34.6 -44.7 -19.8 41.6 198 206 A I H X S+ 0 0 45 -4,-3.2 3,-0.8 -5,-0.3 4,-0.7 0.911 116.0 44.5 -61.0 -46.2 -48.7 -20.5 44.9 201 209 A F H >< S+ 0 0 13 -4,-1.7 2,-1.6 -5,-0.3 3,-1.2 0.976 115.9 47.1 -62.9 -55.9 -50.4 -21.1 41.5 202 210 A A T 3< S+ 0 0 63 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.1 -0.298 112.3 52.3 -83.0 52.6 -51.4 -24.6 42.4 203 211 A G T <4 S+ 0 0 54 -2,-1.6 -1,-0.2 -3,-0.8 -2,-0.2 0.344 74.9 117.2-157.6 -15.3 -52.7 -23.6 45.8 204 212 A M << - 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0 0 15 1,-0.1 3,-2.5 -11,-0.1 -1,-0.2 -0.946 48.3-125.1-109.6 117.2 -51.2 -15.0 42.5 216 224 A K T 3 S+ 0 0 120 -2,-0.6 -1,-0.1 1,-0.3 5,-0.0 0.681 110.5 27.6 -30.0 -33.1 -49.1 -13.5 45.3 217 225 A N T > S- 0 0 31 1,-0.3 3,-0.7 3,-0.1 -1,-0.3 0.490 102.5-136.9-114.7 -5.1 -47.0 -11.7 42.7 218 226 A G T < S- 0 0 32 -3,-2.5 -1,-0.3 1,-0.2 -75,-0.1 -0.597 71.6 -5.1 87.3-146.7 -49.4 -11.2 39.8 219 227 A V T 3 S+ 0 0 10 -77,-0.7 2,-4.0 -2,-0.2 -1,-0.2 0.780 110.4 90.9 -55.4 -30.7 -48.4 -11.8 36.2 220 228 A A < + 0 0 6 -3,-0.7 2,-0.5 -5,-0.1 -1,-0.2 -0.310 62.2 135.4 -66.4 66.2 -44.8 -12.5 37.2 221 229 A S > - 0 0 3 -2,-4.0 4,-3.2 1,-0.2 5,-0.3 -0.973 55.9-143.2-125.1 122.1 -45.7 -16.2 37.5 222 230 A F H > S+ 0 0 4 -2,-0.5 4,-3.1 1,-0.2 3,-0.3 0.932 103.8 37.2 -44.2 -65.3 -43.6 -19.0 36.2 223 231 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.952 116.3 53.7 -54.6 -50.6 -46.4 -21.2 35.0 224 232 A L H > S+ 0 0 5 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.860 114.7 41.6 -49.6 -43.0 -48.5 -18.2 33.9 225 233 A V H X S+ 0 0 0 -4,-3.2 4,-1.8 -3,-0.3 5,-0.3 0.883 109.4 56.5 -73.1 -43.7 -45.6 -17.0 31.7 226 234 A T H X S+ 0 0 23 -4,-3.1 4,-1.0 -5,-0.3 -2,-0.2 0.851 107.8 52.6 -58.0 -32.9 -44.7 -20.5 30.5 227 235 A A H X S+ 0 0 2 -4,-2.4 4,-1.1 -5,-0.2 7,-0.3 0.888 108.5 46.6 -70.8 -43.5 -48.2 -20.7 29.2 228 236 A M H < S+ 0 0 2 -4,-1.3 7,-0.5 -5,-0.2 3,-0.2 0.931 108.0 50.9 -69.9 -49.1 -48.4 -17.5 27.2 229 237 A E H < S+ 0 0 98 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.1 0.951 114.6 43.9 -54.5 -52.3 -45.2 -17.6 25.3 230 238 A K H < S+ 0 0 110 -4,-1.0 -1,-0.2 -5,-0.3 -2,-0.2 0.748 124.3 34.3 -66.0 -26.5 -45.8 -21.1 23.9 231 239 A F >X - 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0 0 37 0, 0.0 4,-1.7 0, 0.0 3,-0.9 -0.528 34.6-117.5 -70.2 138.7 -36.7 2.8 33.1 303 30 B E H >> S+ 0 0 134 1,-0.2 4,-1.2 2,-0.2 3,-0.6 0.881 110.4 63.6 -40.8 -52.8 -37.1 5.7 30.7 304 31 B Q H 34 S+ 0 0 110 1,-0.3 3,-0.5 2,-0.2 -1,-0.2 0.864 111.7 33.6 -39.2 -55.7 -40.9 5.3 30.6 305 32 B I H X4 S+ 0 0 0 -3,-0.9 3,-1.8 1,-0.2 4,-0.5 0.685 101.4 81.5 -78.3 -19.8 -41.3 6.1 34.4 306 33 B M H X< S+ 0 0 12 -4,-1.7 3,-0.8 -3,-0.6 -1,-0.2 0.865 92.2 49.3 -52.2 -41.8 -38.4 8.6 34.3 307 34 B K T 3< S+ 0 0 138 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.496 105.5 57.2 -80.0 -5.7 -40.8 11.2 32.8 308 35 B D T < S+ 0 0 22 -3,-1.8 -1,-0.2 -4,-0.1 -2,-0.2 0.363 77.9 115.1-106.8 3.7 -43.5 10.7 35.4 309 36 B L S < S- 0 0 2 -3,-0.8 2,-1.2 -4,-0.5 3,-0.2 -0.436 77.2-119.2 -74.4 149.5 -41.5 11.4 38.5 310 37 B P + 0 0 26 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 -0.147 55.0 170.5 -79.2 41.4 -42.3 14.4 40.7 311 38 B L + 0 0 30 -2,-1.2 2,-0.7 -5,-0.2 -3,-0.0 0.668 42.1 29.5 -26.2 -76.5 -38.8 15.5 39.9 312 39 B Y + 0 0 84 -3,-0.2 -1,-0.1 1,-0.1 -22,-0.0 -0.831 59.1 165.2-114.0 116.8 -38.0 19.1 41.0 313 40 B G - 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0 0 25 -5,-2.0 11,-0.3 -6,-0.2 -1,-0.1 -0.356 28.3-164.5 -72.4 154.0 -52.5 11.1 47.0 361 88 B R S S+ 0 0 120 1,-0.3 7,-3.8 -3,-0.1 2,-0.5 0.744 72.7 43.7-107.5 -38.6 -53.2 11.4 43.3 362 89 B F E -B 367 0B 118 5,-0.3 2,-0.7 9,-0.1 -1,-0.3 -0.925 55.2-168.9-115.7 131.8 -51.5 14.7 42.5 363 90 B R E > S-B 366 0B 57 3,-2.0 3,-0.5 -2,-0.5 4,-0.0 -0.798 72.4 -58.2-116.7 87.3 -48.0 15.8 43.6 364 91 B R T 3 S- 0 0 179 -2,-0.7 -1,-0.1 1,-0.2 3,-0.1 0.911 125.0 -6.9 38.8 89.2 -47.9 19.4 42.7 365 92 B G T 3 S+ 0 0 83 1,-0.1 2,-0.3 -3,-0.0 -1,-0.2 0.161 124.1 64.8 91.9 -20.7 -48.4 19.5 38.9 366 93 B K E < S-B 363 0B 96 -3,-0.5 -3,-2.0 -56,-0.0 2,-0.5 -0.855 84.2-101.1-133.5 168.3 -48.4 15.8 38.1 367 94 B E E -B 362 0B 66 -2,-0.3 -5,-0.3 -5,-0.2 -6,-0.1 -0.812 53.3-108.7 -88.3 126.3 -50.3 12.6 38.7 368 95 B T > - 0 0 7 -7,-3.8 4,-2.5 -2,-0.5 3,-0.5 -0.162 18.8-116.6 -58.6 143.5 -48.5 10.6 41.4 369 96 B I H > S+ 0 0 3 1,-0.2 4,-3.9 2,-0.2 5,-0.5 0.865 115.4 52.7 -46.6 -42.0 -46.6 7.5 40.5 370 97 B N H > S+ 0 0 7 3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.899 108.4 46.3 -68.1 -39.0 -48.9 5.5 42.7 371 98 B F H 4 S+ 0 0 96 -3,-0.5 -1,-0.2 -11,-0.3 -2,-0.2 0.874 121.4 41.3 -68.2 -35.4 -52.2 6.8 41.2 372 99 B M H < S+ 0 0 71 -4,-2.5 -2,-0.2 2,-0.2 -3,-0.2 0.921 137.3 12.1 -75.3 -48.9 -50.6 6.1 37.8 373 100 B Y H < S- 0 0 35 -4,-3.9 4,-0.4 1,-0.4 -3,-0.2 0.439 110.5-109.0-112.1 -2.9 -48.9 2.8 38.4 374 101 B G X - 0 0 9 -4,-2.3 4,-1.0 -5,-0.5 -1,-0.4 -0.464 38.8 -66.3 105.0-179.0 -50.4 1.8 41.8 375 102 B D H > S+ 0 0 83 2,-0.2 4,-2.2 -2,-0.1 5,-0.4 0.972 124.6 49.7 -76.9 -58.0 -49.1 1.5 45.3 376 103 B K H > S+ 0 0 24 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.921 111.8 49.8 -48.1 -52.7 -46.5 -1.3 45.1 377 104 B A H > S+ 0 0 0 -4,-0.4 4,-2.5 2,-0.2 -1,-0.3 0.902 112.2 49.8 -52.4 -45.8 -44.9 0.3 42.1 378 105 B A H >X S+ 0 0 0 -4,-1.0 4,-2.4 2,-0.2 3,-0.7 0.993 111.8 44.0 -56.4 -70.5 -44.7 3.6 43.9 379 106 B V H 3X S+ 0 0 11 -4,-2.2 4,-2.1 1,-0.3 -1,-0.2 0.812 111.8 57.9 -45.7 -33.1 -43.1 2.3 47.1 380 107 B A H 3X S+ 0 0 3 -4,-2.5 4,-1.6 -5,-0.4 -1,-0.3 0.961 106.6 46.6 -62.9 -50.2 -40.8 0.4 44.9 381 108 B A H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 3,-0.7 0.978 107.9 44.0 -53.0 -63.6 -39.2 5.2 46.6 383 110 B D H 3X S+ 0 0 19 -4,-2.1 4,-1.6 1,-0.3 -1,-0.2 0.809 112.6 56.6 -52.7 -30.2 -36.8 2.6 48.0 384 111 B L H 3X S+ 0 0 1 -4,-1.6 4,-2.8 -5,-0.2 -1,-0.3 0.888 102.0 52.2 -71.8 -39.7 -35.0 2.7 44.6 385 112 B V H X S+ 0 0 4 -4,-2.3 3,-1.3 1,-0.2 4,-0.5 0.868 108.3 59.3 -63.4 -42.7 -22.6 9.0 47.6 394 121 B E H >< S+ 0 0 18 -4,-3.2 3,-0.8 -5,-0.3 -1,-0.2 0.818 99.1 62.5 -57.2 -29.1 -20.7 5.7 47.5 395 122 B E T 3< S+ 0 0 127 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.740 90.2 65.8 -68.7 -25.6 -19.1 7.0 44.2 396 123 B I T <4 S- 0 0 19 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.2 0.698 93.0-139.5 -72.6 -20.8 -17.4 10.0 45.9 397 124 B G << + 0 0 51 -3,-0.8 2,-1.1 -4,-0.5 -3,-0.1 0.558 55.3 138.1 73.1 6.2 -15.1 7.8 47.9 398 125 B N > - 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